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首页> 外文期刊>The journal of physical chemistry, C. Nanomaterials and interfaces >Characterization of Charge-Carrier Transport in Semicrystalline Polymers: Electronic Couplings, Site Energies, and Charge-Carrier Dynamics in Poly(bithiophene-alt-thienothiophene) [PBTTT]
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Characterization of Charge-Carrier Transport in Semicrystalline Polymers: Electronic Couplings, Site Energies, and Charge-Carrier Dynamics in Poly(bithiophene-alt-thienothiophene) [PBTTT]

机译：半结晶聚合物中电荷载流子传输的表征：聚（Bithiophene-alt-thienothiophene）[PBTTT]中的电子耦合，位点能量和电荷载流子动力学

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摘要

We establish a link between the microscopic ordering and the charge-transport parameters for a highly crystalline polymeric organic semiconductor, poly(2,5-bis(3-tetradecylthiophen-2-yl)thieno[3,2-b]thiophene) (PBTTT). We find that the nematic and dynamic order parameters of the conjugated backbones, as well as their separation, evolve linearly with temperature, while the side-chain dynamic order parameter and backbone paracrystallinity change abruptly upon the (also experimentally observed) melting of the side chains around 400 K. The distribution of site energies follows the behavior of the backbone paracrystallinity and can be treated as static on the time scale of a single-charge transfer reaction. On the contrary, the electronic couplings between adjacent backbones are insensitive to side-chain melting and vary on a much faster time scale. The hole mobility, calculated after time-averaging of the electronic couplings, reproduces well the value measured in a short-channel thin-film transistor. The results underline that to secure efficient charge transport in lamellar arrangements of conjugated polymers: (i) the electronic couplings should present high average values and fast dynamics, and (ii) the energetic disorder (paracrystallinity) should be small.
机译：我们建立了高度结晶的聚合物有机半导体，聚（2,5-双（3-十四烷基噻吩-2-基）噻吩并[3,2-b]噻吩）（PBTTT）的微观有序性和电荷传输参数之间的联系）。我们发现共轭主链的向列和动态有序参数及其分离随温度线性变化，而侧链的动态有序参数和主链旁结晶度在侧链熔化（也通过实验观察到）后突然改变大约400K。位能的分布遵循主链顺结晶性的行为，并且在单电荷转移反应的时间范围内可以视为静态。相反，相邻主链之间的电子偶联对侧链熔化不敏感，并且变化的时间尺度要快得多。在对电子耦合器进行时间平均后计算出的空穴迁移率很好地再现了在短沟道薄膜晶体管中测得的值。结果强调，为了确保在共轭聚合物的层状排列中有效地进行电荷传输：（i）电子耦合应具有较高的平均值和快速的动力学，并且（ii）高能紊乱（顺结晶度）应较小。

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